N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

C19H20N4O3S — CID 131937985

IUPACN-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CCCN(C(=O)Cc2nc3ccccc3o2)C1)c1cncs1
InChIInChI=1S/C19H20N4O3S/c24-18(8-17-22-14-5-1-2-6-15(14)26-17)23-7-3-4-13(11-23)9-21-19(25)16-10-20-12-27-16/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,21,25)
InChIKeyLCKKGFTUHAOIME-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.50
Rot. Bonds5

About N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 131937985) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID131937985
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CCCN(C(=O)Cc2nc3ccccc3o2)C1)c1cncs1
InChIInChI=1S/C19H20N4O3S/c24-18(8-17-22-14-5-1-2-6-15(14)26-17)23-7-3-4-13(11-23)9-21-19(25)16-10-20-12-27-16/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,21,25)
InChIKeyLCKKGFTUHAOIME-UHFFFAOYSA-N
XLogP2.50
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
N-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95205845
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 131900860
N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282973
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 25370158
N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
CID 52861521
3-methyl-N-[[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131948015
2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide
CID 131947340
N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 97271529
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 91766973

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 131937985) is N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCC1CCCN(C(=O)Cc2nc3ccccc3o2)C1)c1cncs1.
What is the InChIKey of N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LCKKGFTUHAOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-18(8-17-22-14-5-1-2-6-15(14)26-17)23-7-3-4-13(11-23)9-21-19(25)16-10-20-12-27-16/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,21,25).
What are the key properties of N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131937985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).